N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine

C13H24BrN3S — CID 112663836

IUPACN-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine
SMILESCCc1nn(CC)c(CN(C)C(C)CSC)c1Br
InChIInChI=1S/C13H24BrN3S/c1-6-11-13(14)12(17(7-2)15-11)8-16(4)10(3)9-18-5/h10H,6-9H2,1-5H3
InChIKeySVTLNFWZDNAUHV-UHFFFAOYSA-N
MW334.33 g/mol
LogP3.41
Rot. Bonds7

About N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine

N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine (PubChem CID 112663836) has the molecular formula C13H24BrN3S and a molecular weight of 334.33 g/mol. Its IUPAC name is N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine
PubChem CID112663836
Molecular FormulaC13H24BrN3S
Molecular Weight334.33 g/mol
Exact Mass333.09
IUPAC NameN-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine
SMILESCCc1nn(CC)c(CN(C)C(C)CSC)c1Br
InChIInChI=1S/C13H24BrN3S/c1-6-11-13(14)12(17(7-2)15-11)8-16(4)10(3)9-18-5/h10H,6-9H2,1-5H3
InChIKeySVTLNFWZDNAUHV-UHFFFAOYSA-N
XLogP3.41
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-bromo-N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-methylpropan-2-amine
CID 104555001
4-bromo-1,3-diethyl-5-(3-methylbutan-2-ylsulfanylmethyl)pyrazole
CID 107754260
3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl-methylamino]propan-1-ol
CID 114230746
3-[(4-bromo-1,3-diethylpyrazol-5-yl)methylsulfanyl]-2-methylpropan-1-ol
CID 66102925
2-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107425804
N'-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79667456
4-bromo-5-[2-(chloromethyl)butyl]-1,3-diethylpyrazole
CID 66033443
N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 83142524
4-bromo-1,3-diethyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)pyrazole
CID 66276780
2-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484847
4-amino-1-(4-bromo-1,3-diethylpyrazol-5-yl)pentan-2-one
CID 116555845
1-(4-bromo-1,3-diethylpyrazol-5-yl)-4-ethylhexane-2,3-diol
CID 103459826

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine?
The IUPAC name of N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine (CID 112663836) is N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine.
What is the SMILES notation for N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine?
The canonical SMILES for N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine is CCc1nn(CC)c(CN(C)C(C)CSC)c1Br.
What is the InChIKey of N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine?
The InChIKey is SVTLNFWZDNAUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrN3S/c1-6-11-13(14)12(17(7-2)15-11)8-16(4)10(3)9-18-5/h10H,6-9H2,1-5H3.
What are the key properties of N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine?
N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine has a molecular weight of 334.33 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N-methyl-1-methylsulfanylpropan-2-amine is sourced from PubChem (CID 112663836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).